SCHEMBL2968803

SCHEMBL2968803

Cc1occc1SCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
RXFP1 Q9HBX9 4/20 0.40
ALDH1A1 P00352 3/20 0.40
PRNP P04156 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 2/20 0.40
MAPK10 P53779 2/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
FGB P02675 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
APEX1 P27695 1/20 0.37
KDM4E B2RXH2 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2959541 0.82 CYP1A2 (0.44) CDC25BRXFP1ALDH1A1PRNPMAPT
SCHEMBL31290457 0.81 KDM4E (0.44) ALDH1A1NPSR1MAPTTSHRGAA
SCHEMBL27788661 0.80 TSHR (0.37) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL31290388 0.77 ALDH1A1 (0.36) ALDH1A1MAPTGAAHTTHPGD
SCHEMBL31290484 0.75 SMN1; SMN2 (0.43) ALDH1A1TSHRGAAHTTHPGD
SCHEMBL2265874 0.74 TDP1 (0.34) TSHRKDM4ETDP1
SCHEMBL423425 0.73 PTGS2 (0.39) ALDH1A1NPSR1MAPTTSHRGAA
SCHEMBL8635994 0.72 TSHR (0.36) ALDH1A1MAPTTSHRHTTHPGD
SCHEMBL5637483 0.71 SMN1; SMN2 (0.56) MAP2K7CDC25ACDC25BRXFP1ALDH1A1
SCHEMBL17068798 0.71 LMNA (0.67) ALDH1A1MAPTTSHRTHRBHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7771769-B2 Flavouring a foodstuff by incorporating an effective amount of at least one compound of the formula R1-S-R2 in which R1 and R2 represent a specific atom or group QUEST INTERNATIONAL B.V. (NL) 2010-08-10 US claimed
US-20100143563-A1 FLAVOURING A FOODSTUFF BY INCORPORATING AN EFFECTIVE AMOUNT OF AT LEAST ONE COMPOUND OF THE FORMULA R1-S-R2 IN WHICH R1 AND R2 REPRESENT A SPECIFIC ATOM OR GROUP QUEST INTERNATIONAL B.V. (NL) 2010-06-10 US claimed
US-7771769-B2 Flavouring a foodstuff by incorporating an effective amount of at least one compound of the formula R1-S-R2 in which R1 and R2 represent a specific atom or group QUEST INTERNATIONAL B.V. (NL) 2010-08-10 US disclosed
US-20100143563-A1 FLAVOURING A FOODSTUFF BY INCORPORATING AN EFFECTIVE AMOUNT OF AT LEAST ONE COMPOUND OF THE FORMULA R1-S-R2 IN WHICH R1 AND R2 REPRESENT A SPECIFIC ATOM OR GROUP QUEST INTERNATIONAL B.V. (NL) 2010-06-10 US disclosed
EP-1692952-A2 Flavouring a foodstuff with compounds containing a sulphur atom linked to two specific atoms or groups QUEST INTERNATIONAL B.V. (NL) 2006-08-23 EP disclosed
EP-1090557-B1 Savoury flavour comprising 2-methyl-furan -3-thiol and/or a derivative and methylenedithiol and/or a derivative QUEST INT (NL) 2005-09-28 EP disclosed
US-6716468-B1 MEAT FLAVORED FOODSTUFF COMPRISING COMBINATION OF AT LEAST ONE COMPOUND WITH (HYDROGENATED) 2-METHYL-3-FURYL-THIO MOIETY AND AT LEAST ONE COMPOUND WITH METHYLTHIO MOIETY QUEST INTERNATIONAL B.V. (NL) 2004-04-06 US disclosed
US-20040052914-A1 Flavouring a foodstuff by incorporating an effective amount of at least one compound of the formula r1-s-r2 in which r1 and r2 represent a specific atom or group QUEST INTERNATIONAL B.V. (NL) 2004-03-18 US disclosed
WO-2001076390-A2 FLAVOURING A FOODSTUFF WITH COMPOUNDS CONTAINING A SULFUR ATOM LINKED TO TWO SPECIFIC ATOMS OR GROUPS QUEST INTERNATIONAL B.V. (NL) 2001-10-18 WO disclosed
EP-1142490-A1 Flavouring a foodstuff with compounds containing a sulphur atom linked to two specific atoms or groups QUEST INTERNATIONAL B.V. (NL) 2001-10-10 EP disclosed
EP-1090557-A1 Savoury flavour comprising 2-methyl-furan -3-thiol and/or a derivative and methylenedithiol and/or a derivative QUEST INTERNATIONAL B.V. (NL) 2001-04-11 EP disclosed